General Information of the Compound
| Compound ID |
CP0510029
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| Compound Name |
3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-2-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-pyridine
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| Structure |
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| Formula |
C16H10F9NO3S
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| Molecular Weight |
467.309
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H10F9NO3S/c1-30(27,28)10-4-2-8(3-5-10)11-6-9(14(17,18)19)7-26-12(11)29-13(15(20,21)22)16(23,24)25/h2-7,13H,1H3
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| InChIKey |
NUSHRLJQJJMSGL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound